7-azaniumyl-3-[bromanyl(chloranyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-azaniumyl-3-[bromanyl(chloranyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-azaniumyl-3-[bromo(chloro)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-ammonio-3-[bromo(chloro)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-azaniumyl-3-[bromo(chloro)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-ammonio-3-[bromo(chloro)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C8H8BrClN2O3S MolecularWeight: 327.58272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)[NH3+])C(=O)[O-])C(Cl)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)[NH3+])C(=O)[O-])C(Cl)Br

InChI

InChI=1S/C8H8BrClN2O3S/c9-5(10)2-1-16-7-3(11)6(13)12(7)4(2)8(14)15/h3,5,7H,1,11H2,(H,14,15)